REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3knk_1_5 DATA FIRST_RESID 2 DATA SEQUENCE AKHPVPKKKT SKARRDARRS HHALTPPTLV PCPECKAMKP PHTVCPECGY DATA SEQUENCE YAGRKVLEV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.570 177.584 -0.023 0.000 1.274 2 A CA 0.000 52.029 52.037 -0.013 0.000 0.836 2 A CB 0.000 18.993 19.000 -0.012 0.000 0.831 3 K N -1.206 119.182 120.400 -0.019 0.000 2.571 3 K HA 0.642 4.962 4.320 0.000 0.000 0.289 3 K C 0.845 177.435 176.600 -0.016 0.000 1.028 3 K CA -0.529 55.734 56.287 -0.040 0.000 0.895 3 K CB 0.363 32.876 32.500 0.021 0.000 1.534 3 K HN 0.298 nan 8.250 nan 0.000 0.421 4 H N 0.240 119.311 119.070 0.001 0.000 1.551 4 H HA -0.215 4.341 4.556 0.000 0.000 0.099 4 H C -1.463 173.866 175.328 0.002 0.000 1.013 4 H CA 2.544 58.593 56.048 0.001 0.000 1.883 4 H CB -1.501 28.262 29.762 0.002 0.000 2.247 4 H HN 0.448 nan 8.280 nan 0.000 0.965 5 P HA 0.042 nan 4.420 nan 0.000 0.263 5 P C -1.271 176.059 177.300 0.050 0.000 1.168 5 P CA 0.764 63.911 63.100 0.080 0.000 0.759 5 P CB 0.508 32.242 31.700 0.057 0.000 0.782 6 V N 4.852 124.787 119.914 0.035 0.000 2.817 6 V HA 0.272 4.392 4.120 0.000 0.000 0.303 6 V C -2.227 173.876 176.094 0.016 0.000 1.151 6 V CA -1.411 60.902 62.300 0.021 0.000 0.929 6 V CB 2.119 33.951 31.823 0.014 0.000 1.030 6 V HN 0.595 nan 8.190 nan 0.000 0.427 7 P HA 0.095 nan 4.420 nan 0.000 0.260 7 P C -0.136 177.168 177.300 0.008 0.000 1.185 7 P CA 0.035 63.141 63.100 0.010 0.000 0.763 7 P CB 0.877 32.581 31.700 0.008 0.000 0.776 8 K N 2.171 122.576 120.400 0.008 0.000 2.417 8 K HA 0.065 4.385 4.320 0.000 0.000 0.196 8 K C 0.002 176.604 176.600 0.005 0.000 1.023 8 K CA 0.128 56.419 56.287 0.007 0.000 1.122 8 K CB 0.209 32.714 32.500 0.008 0.000 0.850 8 K HN 0.209 nan 8.250 nan 0.000 0.521 9 K N 1.092 121.494 120.400 0.004 0.000 2.587 9 K HA 0.042 4.362 4.320 0.000 0.000 0.256 9 K C -1.635 174.966 176.600 0.002 0.000 0.974 9 K CA -0.533 55.755 56.287 0.003 0.000 0.855 9 K CB 1.607 34.108 32.500 0.003 0.000 1.292 9 K HN -0.009 nan 8.250 nan 0.000 0.444 10 K N 2.729 123.129 120.400 0.001 0.000 2.255 10 K HA 0.010 4.330 4.320 0.000 0.000 0.269 10 K C -0.501 176.099 176.600 0.000 0.000 1.158 10 K CA 0.475 56.762 56.287 0.000 0.000 1.155 10 K CB -0.219 32.281 32.500 -0.001 0.000 0.889 10 K HN 0.483 nan 8.250 nan 0.000 0.440 11 T N 2.848 117.402 114.554 0.001 0.000 2.642 11 T HA -0.083 4.267 4.350 0.000 0.000 0.258 11 T C 0.588 175.287 174.700 -0.001 0.000 1.022 11 T CA 0.211 62.311 62.100 0.000 0.000 1.266 11 T CB -0.485 68.383 68.868 0.001 0.000 0.987 11 T HN 0.693 nan 8.240 nan 0.000 0.518 12 S N 3.108 118.807 115.700 -0.002 0.000 2.516 12 S HA -0.096 4.374 4.470 0.000 0.000 0.285 12 S C 1.359 175.957 174.600 -0.004 0.000 1.312 12 S CA -0.186 58.012 58.200 -0.003 0.000 1.026 12 S CB 0.631 63.829 63.200 -0.003 0.000 0.801 12 S HN 0.746 nan 8.310 nan 0.000 0.504 13 K N 1.916 122.313 120.400 -0.004 0.000 2.002 13 K HA -0.085 4.235 4.320 0.000 0.000 0.209 13 K C 2.524 179.120 176.600 -0.006 0.000 1.048 13 K CA 1.368 57.652 56.287 -0.005 0.000 0.930 13 K CB -0.770 31.727 32.500 -0.005 0.000 0.714 13 K HN 0.784 nan 8.250 nan 0.000 0.438 14 A N 1.387 124.203 122.820 -0.006 0.000 2.131 14 A HA -0.150 4.170 4.320 0.000 0.000 0.220 14 A C 1.972 179.550 177.584 -0.010 0.000 1.158 14 A CA 1.234 53.267 52.037 -0.007 0.000 0.665 14 A CB -0.300 18.696 19.000 -0.006 0.000 0.795 14 A HN 0.198 nan 8.150 nan 0.000 0.460 15 R N -1.215 119.279 120.500 -0.009 0.000 2.365 15 R HA 0.142 4.482 4.340 0.000 0.000 0.223 15 R C 2.030 178.325 176.300 -0.009 0.000 0.899 15 R CA 0.428 56.521 56.100 -0.012 0.000 1.059 15 R CB 0.006 30.301 30.300 -0.009 0.000 1.086 15 R HN 0.598 nan 8.270 nan 0.000 0.522 16 R N 0.139 120.635 120.500 -0.007 0.000 2.080 16 R HA -0.017 4.323 4.340 0.000 0.000 0.222 16 R C 0.619 176.917 176.300 -0.003 0.000 1.107 16 R CA 1.487 57.584 56.100 -0.003 0.000 0.980 16 R CB 0.138 30.435 30.300 -0.005 0.000 0.879 16 R HN 0.082 nan 8.270 nan 0.000 0.439 17 D N 0.445 120.841 120.400 -0.007 0.000 2.323 17 D HA 0.019 4.659 4.640 0.000 0.000 0.209 17 D C 1.519 177.811 176.300 -0.013 0.000 0.973 17 D CA 0.905 54.902 54.000 -0.006 0.000 0.874 17 D CB 0.442 41.238 40.800 -0.007 0.000 0.930 17 D HN 0.401 nan 8.370 nan 0.000 0.521 18 A N 1.371 124.177 122.820 -0.024 0.000 1.897 18 A HA -0.140 4.180 4.320 0.000 0.000 0.215 18 A C 2.174 179.712 177.584 -0.077 0.000 1.181 18 A CA 0.854 52.862 52.037 -0.049 0.000 0.620 18 A CB -0.435 18.540 19.000 -0.042 0.000 0.821 18 A HN 0.062 nan 8.150 nan 0.000 0.443 19 R N -0.114 120.362 120.500 -0.040 0.000 2.200 19 R HA -0.076 4.264 4.340 0.000 0.000 0.234 19 R C 0.526 176.830 176.300 0.008 0.000 1.127 19 R CA 1.177 57.260 56.100 -0.029 0.000 0.989 19 R CB -0.118 30.191 30.300 0.015 0.000 0.869 19 R HN 0.417 nan 8.270 nan 0.000 0.459 20 R N 0.127 120.655 120.500 0.046 0.000 3.179 20 R HA 0.086 4.426 4.340 0.000 0.000 0.317 20 R C 1.089 177.425 176.300 0.061 0.000 1.331 20 R CA 0.126 56.319 56.100 0.155 0.000 1.184 20 R CB 0.803 31.176 30.300 0.122 0.000 1.408 20 R HN 0.235 nan 8.270 nan 0.000 0.598 21 S N -1.111 114.542 115.700 -0.078 0.000 2.470 21 S HA -0.013 4.457 4.470 0.000 0.000 0.222 21 S C 1.073 175.733 174.600 0.100 0.000 1.024 21 S CA 0.272 58.427 58.200 -0.075 0.000 0.931 21 S CB 0.115 63.167 63.200 -0.246 0.000 0.791 21 S HN 0.377 nan 8.310 nan 0.000 0.513 22 H N 0.059 119.129 119.070 0.000 0.000 2.507 22 H HA 0.414 4.970 4.556 -0.000 0.000 0.294 22 H C 0.590 175.866 175.328 -0.086 0.000 1.064 22 H CA -0.118 55.902 56.048 -0.048 0.000 1.138 22 H CB -0.428 29.284 29.762 -0.084 0.000 1.515 22 H HN 0.595 nan 8.280 nan 0.000 0.547 23 H N 0.156 119.288 119.070 0.103 0.000 2.553 23 H HA 0.375 4.931 4.556 0.000 0.000 0.276 23 H C 1.071 176.426 175.328 0.046 0.000 0.979 23 H CA 0.435 56.519 56.048 0.060 0.000 1.268 23 H CB 0.620 30.402 29.762 0.033 0.000 1.450 23 H HN 0.276 nan 8.280 nan 0.000 0.527 24 A N 2.280 125.199 122.820 0.164 0.000 2.538 24 A HA -0.158 4.162 4.320 0.000 0.000 0.280 24 A C 0.518 178.150 177.584 0.080 0.000 0.987 24 A CA 0.347 52.444 52.037 0.101 0.000 0.992 24 A CB -0.933 18.115 19.000 0.080 0.000 0.841 24 A HN 0.479 nan 8.150 nan 0.000 0.478 25 L N 3.363 124.628 121.223 0.070 0.000 2.506 25 L HA 0.226 4.566 4.340 0.000 0.000 0.281 25 L C 0.918 177.810 176.870 0.037 0.000 1.228 25 L CA 0.838 55.710 54.840 0.053 0.000 0.850 25 L CB 0.693 42.776 42.059 0.041 0.000 1.110 25 L HN 0.891 nan 8.230 nan 0.000 0.496 26 T N 1.474 116.045 114.554 0.029 0.000 2.807 26 T HA 0.521 4.871 4.350 0.000 0.000 0.279 26 T C -2.271 172.439 174.700 0.017 0.000 0.993 26 T CA -1.766 60.346 62.100 0.021 0.000 0.970 26 T CB 1.228 70.106 68.868 0.016 0.000 0.950 26 T HN 0.419 nan 8.240 nan 0.000 0.441 27 P HA 0.131 nan 4.420 nan 0.000 0.257 27 P C -1.994 175.313 177.300 0.012 0.000 1.162 27 P CA -0.552 62.555 63.100 0.013 0.000 0.762 27 P CB -0.200 31.507 31.700 0.011 0.000 0.753 28 P HA 0.018 nan 4.420 nan 0.000 0.267 28 P C -0.428 176.880 177.300 0.013 0.000 1.205 28 P CA -0.079 63.029 63.100 0.013 0.000 0.765 28 P CB 0.489 32.196 31.700 0.011 0.000 0.828 29 T N 1.761 116.325 114.554 0.016 0.000 2.856 29 T HA 0.644 4.994 4.350 0.000 0.000 0.292 29 T C 0.111 174.823 174.700 0.019 0.000 0.980 29 T CA -0.634 61.477 62.100 0.018 0.000 1.091 29 T CB 0.533 69.415 68.868 0.023 0.000 0.936 29 T HN 0.314 nan 8.240 nan 0.000 0.503 30 L N 2.192 123.423 121.223 0.014 0.000 2.409 30 L HA 0.815 5.155 4.340 0.000 0.000 0.255 30 L C -0.032 176.838 176.870 0.000 0.000 1.027 30 L CA -1.479 53.365 54.840 0.007 0.000 0.834 30 L CB 2.158 44.217 42.059 -0.000 0.000 1.426 30 L HN 0.707 nan 8.230 nan 0.000 0.411 31 V N -2.426 117.480 119.914 -0.013 0.000 3.221 31 V HA 0.668 4.788 4.120 0.000 0.000 0.305 31 V C -2.641 173.434 176.094 -0.031 0.000 1.263 31 V CA -1.182 61.104 62.300 -0.023 0.000 1.048 31 V CB 1.479 33.279 31.823 -0.039 0.000 1.203 31 V HN 0.686 nan 8.190 nan 0.000 0.476 32 P HA 0.264 nan 4.420 nan 0.000 0.249 32 P C 0.182 177.453 177.300 -0.047 0.000 1.177 32 P CA 0.687 63.766 63.100 -0.035 0.000 0.879 32 P CB 0.266 31.951 31.700 -0.024 0.000 1.083 33 C N -0.161 119.103 119.300 -0.060 0.000 0.326 33 C HA -0.053 4.407 4.460 0.000 0.000 0.051 33 C C -1.679 173.288 174.990 -0.038 0.000 0.198 33 C CA -0.522 58.453 59.018 -0.072 0.000 0.847 33 C CB -1.893 25.794 27.740 -0.089 0.000 3.166 33 C HN 0.204 nan 8.230 nan 0.000 1.095 34 P HA -0.033 nan 4.420 nan 0.000 0.213 34 P C 1.424 178.729 177.300 0.008 0.000 1.170 34 P CA 1.754 64.856 63.100 0.004 0.000 0.889 34 P CB 0.014 31.731 31.700 0.028 0.000 0.782 35 E N -0.965 119.245 120.200 0.018 0.000 2.501 35 E HA -0.076 4.274 4.350 0.000 0.000 0.203 35 E C 0.532 177.132 176.600 0.000 0.000 1.072 35 E CA 0.472 56.883 56.400 0.017 0.000 0.885 35 E CB -0.736 28.978 29.700 0.024 0.000 0.813 35 E HN 0.300 nan 8.360 nan 0.000 0.556 36 C N -1.931 117.364 119.300 -0.010 0.000 3.197 36 C HA 0.298 4.758 4.460 0.000 0.000 0.343 36 C C 1.493 176.473 174.990 -0.017 0.000 1.291 36 C CA -0.575 58.436 59.018 -0.012 0.000 1.191 36 C CB 0.682 28.413 27.740 -0.015 0.000 1.444 36 C HN 0.243 nan 8.230 nan 0.000 0.468 37 K N 3.159 123.551 120.400 -0.014 0.000 1.969 37 K HA 0.250 4.570 4.320 0.000 0.000 0.216 37 K C 1.121 177.710 176.600 -0.018 0.000 1.048 37 K CA 1.619 57.898 56.287 -0.014 0.000 0.948 37 K CB -0.985 31.509 32.500 -0.010 0.000 0.726 37 K HN 1.852 nan 8.250 nan 0.000 0.442 38 A N 1.664 124.473 122.820 -0.019 0.000 2.641 38 A HA -0.046 4.274 4.320 0.000 0.000 0.228 38 A C 0.233 177.801 177.584 -0.028 0.000 1.049 38 A CA 0.720 52.744 52.037 -0.021 0.000 0.779 38 A CB -0.323 18.663 19.000 -0.022 0.000 0.947 38 A HN 0.468 nan 8.150 nan 0.000 0.498 39 M N 1.050 120.635 119.600 -0.026 0.000 2.654 39 M HA 0.642 5.122 4.480 0.000 0.000 0.310 39 M C -0.135 176.145 176.300 -0.034 0.000 1.211 39 M CA -0.786 54.496 55.300 -0.030 0.000 0.947 39 M CB 2.022 34.609 32.600 -0.021 0.000 1.647 39 M HN 0.871 nan 8.290 nan 0.000 0.481 40 K N -0.014 120.362 120.400 -0.040 0.000 2.578 40 K HA 0.595 4.915 4.320 0.000 0.000 0.287 40 K C -3.150 173.432 176.600 -0.030 0.000 1.010 40 K CA -1.484 54.779 56.287 -0.041 0.000 0.889 40 K CB 0.297 32.755 32.500 -0.068 0.000 1.514 40 K HN 0.196 nan 8.250 nan 0.000 0.424 41 P HA 0.138 nan 4.420 nan 0.000 0.275 41 P C -2.263 175.050 177.300 0.021 0.000 1.276 41 P CA -0.968 62.140 63.100 0.014 0.000 0.782 41 P CB -0.062 31.652 31.700 0.024 0.000 0.851 42 P HA -0.142 nan 4.420 nan 0.000 0.259 42 P C 0.404 177.785 177.300 0.136 0.000 1.163 42 P CA 1.121 64.220 63.100 -0.003 0.000 0.760 42 P CB -0.062 31.670 31.700 0.053 0.000 0.762 43 H N -1.526 117.568 119.070 0.039 0.000 3.819 43 H HA -0.109 4.447 4.556 -0.000 0.000 0.150 43 H C 0.992 176.402 175.328 0.136 0.000 0.791 43 H CA 1.304 57.424 56.048 0.120 0.000 1.246 43 H CB -1.967 27.851 29.762 0.093 0.000 0.824 43 H HN 0.598 nan 8.280 nan 0.000 0.490 44 T N -1.337 113.290 114.554 0.121 0.000 3.057 44 T HA 0.576 4.926 4.350 0.000 0.000 0.312 44 T C 0.712 175.418 174.700 0.008 0.000 1.227 44 T CA -0.218 61.936 62.100 0.090 0.000 0.929 44 T CB 1.492 70.383 68.868 0.038 0.000 1.986 44 T HN -0.001 nan 8.240 nan 0.000 0.579 45 V N 0.681 120.584 119.914 -0.018 0.000 2.357 45 V HA 0.288 4.408 4.120 0.000 0.000 0.281 45 V C 0.518 176.545 176.094 -0.113 0.000 1.015 45 V CA -1.239 61.011 62.300 -0.082 0.000 0.827 45 V CB 0.397 32.261 31.823 0.067 0.000 1.018 45 V HN 1.262 nan 8.190 nan 0.000 0.432 46 C N 10.086 129.266 119.300 -0.200 0.000 1.279 46 C HA -0.043 4.417 4.460 0.000 0.000 0.485 46 C C 0.268 175.213 174.990 -0.075 0.000 1.403 46 C CA -0.044 58.894 59.018 -0.135 0.000 1.738 46 C CB -0.117 27.533 27.740 -0.150 0.000 3.179 46 C HN 0.807 nan 8.230 nan 0.000 0.591 47 P HA -0.103 nan 4.420 nan 0.000 0.231 47 P C 0.514 177.798 177.300 -0.026 0.000 1.154 47 P CA 1.694 64.775 63.100 -0.031 0.000 0.762 47 P CB 0.251 31.937 31.700 -0.024 0.000 0.790 48 E N -1.300 118.881 120.200 -0.032 0.000 2.564 48 E HA 0.010 4.360 4.350 0.000 0.000 0.203 48 E C 2.069 178.654 176.600 -0.025 0.000 0.867 48 E CA 0.572 56.957 56.400 -0.024 0.000 1.250 48 E CB -0.740 28.947 29.700 -0.022 0.000 1.215 48 E HN 0.306 nan 8.360 nan 0.000 0.566 49 C N -0.190 119.089 119.300 -0.035 0.000 3.544 49 C HA 0.832 5.292 4.460 0.000 0.000 0.276 49 C C 1.342 176.307 174.990 -0.041 0.000 1.526 49 C CA 0.247 59.245 59.018 -0.033 0.000 1.636 49 C CB -0.561 27.159 27.740 -0.032 0.000 1.986 49 C HN 0.464 nan 8.230 nan 0.000 0.666 50 G N -1.478 107.280 108.800 -0.070 0.000 2.355 50 G HA2 0.214 4.174 3.960 0.000 0.000 0.619 50 G HA3 0.214 4.174 3.960 0.000 0.000 0.619 50 G C -1.313 173.519 174.900 -0.114 0.000 1.337 50 G CA -0.711 44.343 45.100 -0.078 0.000 0.993 50 G HN 0.542 nan 8.290 nan 0.000 0.599 51 Y N 0.167 120.319 120.300 -0.246 0.000 2.511 51 Y HA 0.393 4.943 4.550 -0.000 0.000 0.347 51 Y C 1.621 177.141 175.900 -0.634 0.000 1.257 51 Y CA 0.921 58.698 58.100 -0.537 0.000 1.469 51 Y CB 0.194 38.208 38.460 -0.742 0.000 1.353 51 Y HN 0.639 nan 8.280 nan 0.000 0.617 52 Y N -0.067 120.349 120.300 0.193 0.000 2.652 52 Y HA 0.267 4.817 4.550 0.000 0.000 0.344 52 Y C 0.891 176.842 175.900 0.085 0.000 1.254 52 Y CA -1.489 56.671 58.100 0.100 0.000 1.480 52 Y CB -0.536 37.973 38.460 0.081 0.000 1.345 52 Y HN 0.754 nan 8.280 nan 0.000 0.617 53 A N 1.200 124.053 122.820 0.055 0.000 2.550 53 A HA -0.024 4.296 4.320 0.000 0.000 0.298 53 A C 0.596 178.138 177.584 -0.069 0.000 1.485 53 A CA 1.179 53.235 52.037 0.032 0.000 0.780 53 A CB -2.018 17.056 19.000 0.123 0.000 1.045 53 A HN 1.793 nan 8.150 nan 0.000 0.423 54 G N -1.453 107.286 108.800 -0.102 0.000 2.658 54 G HA2 0.631 4.591 3.960 0.000 0.000 0.292 54 G HA3 0.631 4.591 3.960 0.000 0.000 0.292 54 G C -0.538 174.336 174.900 -0.042 0.000 1.320 54 G CA -0.641 44.400 45.100 -0.098 0.000 0.933 54 G HN 0.800 nan 8.290 nan 0.000 0.476 55 R N 0.464 120.949 120.500 -0.026 0.000 2.389 55 R HA 0.391 4.731 4.340 0.000 0.000 0.295 55 R C 0.578 176.874 176.300 -0.006 0.000 1.075 55 R CA -0.317 55.776 56.100 -0.012 0.000 1.005 55 R CB 0.509 30.804 30.300 -0.008 0.000 0.987 55 R HN 0.621 nan 8.270 nan 0.000 0.452 56 K N 3.456 123.851 120.400 -0.008 0.000 2.158 56 K HA 0.362 4.682 4.320 0.000 0.000 0.243 56 K C 0.207 176.803 176.600 -0.006 0.000 1.079 56 K CA -0.106 56.176 56.287 -0.008 0.000 0.920 56 K CB -0.342 32.151 32.500 -0.012 0.000 1.400 56 K HN 0.286 nan 8.250 nan 0.000 0.561 57 V N -1.462 118.447 119.914 -0.007 0.000 4.510 57 V HA 0.353 4.473 4.120 0.000 0.000 0.153 57 V C 0.855 176.946 176.094 -0.004 0.000 1.194 57 V CA -0.351 61.945 62.300 -0.006 0.000 1.217 57 V CB -0.682 31.137 31.823 -0.007 0.000 1.157 57 V HN 0.502 nan 8.190 nan 0.000 0.363 58 L N 0.984 122.205 121.223 -0.004 0.000 2.346 58 L HA 0.643 4.983 4.340 0.000 0.000 0.276 58 L C -0.121 176.747 176.870 -0.003 0.000 1.006 58 L CA -0.386 54.453 54.840 -0.003 0.000 0.817 58 L CB 1.712 43.769 42.059 -0.002 0.000 1.272 58 L HN 0.738 nan 8.230 nan 0.000 0.421 59 E N 2.035 122.234 120.200 -0.002 0.000 2.469 59 E HA 0.785 5.135 4.350 0.000 0.000 0.237 59 E C -1.192 175.408 176.600 -0.000 0.000 0.840 59 E CA -0.738 55.661 56.400 -0.001 0.000 0.894 59 E CB 2.518 32.218 29.700 -0.000 0.000 1.681 59 E HN 0.219 nan 8.360 nan 0.000 0.401 60 V N 0.000 119.914 119.914 0.001 0.000 0.000 60 V HA 0.000 4.120 4.120 0.000 0.000 0.000 60 V CA 0.000 62.301 62.300 0.001 0.000 0.000 60 V CB 0.000 31.823 31.823 0.001 0.000 0.000 60 V HN 0.000 nan 8.190 nan 0.000 0.000